propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate

C16H32N2O2 — CID 176554699

IUPACpropan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate
SMILESCCCCCCN1CC(C)N(C(=O)OC(C)C)C(C)C1
InChIInChI=1S/C16H32N2O2/c1-6-7-8-9-10-17-11-14(4)18(15(5)12-17)16(19)20-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeySVXYLQBNBOXKIM-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.51
Rot. Bonds6

About propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate

propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate (PubChem CID 176554699) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate
PubChem CID176554699
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Namepropan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate
SMILESCCCCCCN1CC(C)N(C(=O)OC(C)C)C(C)C1
InChIInChI=1S/C16H32N2O2/c1-6-7-8-9-10-17-11-14(4)18(15(5)12-17)16(19)20-13(2)3/h13-15H,6-12H2,1-5H3
InChIKeySVXYLQBNBOXKIM-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate (CID 176554699) is propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate is CCCCCCN1CC(C)N(C(=O)OC(C)C)C(C)C1.
What is the InChIKey of propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is SVXYLQBNBOXKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-7-8-9-10-17-11-14(4)18(15(5)12-17)16(19)20-13(2)3/h13-15H,6-12H2,1-5H3.
What are the key properties of propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate?
propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 284.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-hexyl-2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 176554699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).